3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: 3-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-N-(4-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: 3-[[4-(2-fluorophenyl)piperazino]methyl]-N-(4-methoxyphenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C25H25FN4O4S2 MolecularWeight: 528.618803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3CN4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3CN4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C25H25FN4O4S2/c1-33-19-8-6-18(7-9-19)27-36(31,32)20-10-11-24-23(16-20)30(25(35)34-24)17-28-12-14-29(15-13-28)22-5-3-2-4-21(22)26/h2-11,16,27H,12-15,17H2,1H3